benzyl N-[2-[[1-methyl-3-(3-methylbutyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamate

C19H26N4O3 — CID 119045213

IUPACbenzyl N-[2-[[1-methyl-3-(3-methylbutyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamate
SMILESCC(C)CCc1cc(NC(=O)CNC(=O)OCc2ccccc2)n(C)n1
InChIInChI=1S/C19H26N4O3/c1-14(2)9-10-16-11-17(23(3)22-16)21-18(24)12-20-19(25)26-13-15-7-5-4-6-8-15/h4-8,11,14H,9-10,12-13H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyYXCMQSOLTUQOBQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.87
Rot. Bonds8

About benzyl N-[2-[[1-methyl-3-(3-methylbutyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamate

benzyl N-[2-[[1-methyl-3-(3-methylbutyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamate (PubChem CID 119045213) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is benzyl N-[2-[[1-methyl-3-(3-methylbutyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[[1-methyl-3-(3-methylbutyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamate
PubChem CID119045213
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Namebenzyl N-[2-[[1-methyl-3-(3-methylbutyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamate
SMILESCC(C)CCc1cc(NC(=O)CNC(=O)OCc2ccccc2)n(C)n1
InChIInChI=1S/C19H26N4O3/c1-14(2)9-10-16-11-17(23(3)22-16)21-18(24)12-20-19(25)26-13-15-7-5-4-6-8-15/h4-8,11,14H,9-10,12-13H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyYXCMQSOLTUQOBQ-UHFFFAOYSA-N
XLogP2.87
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate
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benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
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(2R)-3-phenyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid
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benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[[1-methyl-3-(3-methylbutyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[[1-methyl-3-(3-methylbutyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamate (CID 119045213) is benzyl N-[2-[[1-methyl-3-(3-methylbutyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[[1-methyl-3-(3-methylbutyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[[1-methyl-3-(3-methylbutyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamate is CC(C)CCc1cc(NC(=O)CNC(=O)OCc2ccccc2)n(C)n1.
What is the InChIKey of benzyl N-[2-[[1-methyl-3-(3-methylbutyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is YXCMQSOLTUQOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14(2)9-10-16-11-17(23(3)22-16)21-18(24)12-20-19(25)26-13-15-7-5-4-6-8-15/h4-8,11,14H,9-10,12-13H2,1-3H3,(H,20,25)(H,21,24).
What are the key properties of benzyl N-[2-[[1-methyl-3-(3-methylbutyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamate?
benzyl N-[2-[[1-methyl-3-(3-methylbutyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 358.44 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[[1-methyl-3-(3-methylbutyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 119045213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).